Chloroeremomycin

Basic Information

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CAS Number

118395-73-6

Molecular Formula

C73H88Cl2N10O26

Molecular Weight

1592.4 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CC1C(C(CC(O1)OC2C(C(C(OC2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)C(C7C(=O)NC(C8=C(C(=CC(=C8)O)O)C9=C(C=CC(=C9)C(C(=O)N7)NC(=O)C5NC(=O)C(NC(=O)C(C(C1=CC(=C(O4)C=C1)Cl)O)NC(=O)C(CC(C)C)NC)CC(=O)N)O)C(=O)O)OC1CC(C(C(O1)C)O)(C)N)Cl)CO)O)O)(C)N)O

InChI

InChI=1S/C73H88Cl2N10O26/c1-26(2)14-38(79-7)64(96)84-54-56(91)30-9-12-42(36(74)16-30)106-44-18-32-19-45(60(44)111-71-61(58(93)57(92)46(25-86)108-71)110-49-24-73(6,78)63(95)28(4)105-49)107-43-13-10-31(17-37(43)75)59(109-48-23-72(5,77)62(94)27(3)104-48)55-69(101)83-53(70(102)103)35-20-33(87)21-41(89)50(35)34-15-29(8-11-40(34)88)51(66(98)85-55)82-67(99)52(32)81-65(97)39(22-47(76)90)80-68(54)100/h8-13,15-21,26-28,38-39,46,48-49,51-59,61-63,71,79,86-89,91-95H,14,22-25,77-78H2,1-7H3,(H2,76,90)(H,80,100)(H,81,97)(H,82,99)(H,83,101)(H,84,96)(H,85,98)(H,102,103)/t27-,28-,38+,39-,46+,48-,49-,51+,52+,53-,54+,55-,56+,57+,58-,59+,61+,62-,63-,71-,72-,73-/m0/s1

InChIKey

XJHXLMVKYIVZTE-LOALFDMRSA-N

LogP

0.3437000000000077

Topological Polar Surface Area

574.97 Å²

Hydrogen Bond Donor/Acceptor

23 / 36

Complexity

3300

Synonyms & References

English

CHEMBL1688951
SCHEMBL9947123
CS-0020679
Chloroorienticin A
A-82846B
C12014
Chloroeremomycin
LY-264826
X47SLZ2K7D
(4''R)-22-O-(3-AMINO-2,3,6-TRIDEOXY-3-C-METHYL-.ALPHA.-L-ARABINO-HEXOPYRANOSYL)VANCOMYCIN
CHEBI:29556
118395-73-6
PA-45052A
VANCOMYCIN, 22-O-(3-AMINO-2,3,6-TRIDEOXY-3-C-METHYL-.ALPHA.-L-ARABINO-HEXOPYRANOSYL)-, (4''R)-
HY-100997
Vancomycin,22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-a-L-arabino-hexopyranosyl)-, (4''R)-
(1S,2R,18R,19R,22S,25R,28R,40R)-2-{[(2R,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-48-{[(2S,3R,5S,6R)-3-{[(2S,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-22-(2-amino-2-oxoe
8-82846A
A 82846B
A83846B
LY 264826
Vancomycin, 22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-arabino-hexopyranosyl)-, (4''R)-
(4''R)-22-O-(3-Amino-3-C-methyl-2,3,6-trideoxy-α-L-arabino-hexopyranosyl)vancomycin
(4''R)-22-O-(3-Amino-2,3,6-trideoxy-3-C-methyl-α-L-arabino-hexopyranosyl)vancomycin