(3R,4R,5R,6R)-3-amino-2,4,5-tribenzyl-6-(phenylmethoxymethyl)oxane-2,4,5-triol;hydrochloride

C34H38ClNO5 — CID 174679764

IUPAC(3R,4R,5R,6R)-3-amino-2,4,5-tribenzyl-6-(phenylmethoxymethyl)oxane-2,4,5-triol;hydrochloride
SMILESCl.N[C@H]1C(O)(Cc2ccccc2)O[C@H](COCc2ccccc2)[C@](O)(Cc2ccccc2)[C@@]1(O)Cc1ccccc1
InChIInChI=1S/C34H37NO5.ClH/c35-31-33(37,22-27-15-7-2-8-16-27)32(36,21-26-13-5-1-6-14-26)30(25-39-24-29-19-11-4-12-20-29)40-34(31,38)23-28-17-9-3-10-18-28;/h1-20,30-31,36-38H,21-25,35H2;1H/t30-,31-,32-,33-,34?;/m1./s1
InChIKeyFWCWBUACRSBIQP-XTNXPORCSA-N
MW576.13 g/mol
LogP4.23
Rot. Bonds10

About (3R,4R,5R,6R)-3-amino-2,4,5-tribenzyl-6-(phenylmethoxymethyl)oxane-2,4,5-triol;hydrochloride

(3R,4R,5R,6R)-3-amino-2,4,5-tribenzyl-6-(phenylmethoxymethyl)oxane-2,4,5-triol;hydrochloride (PubChem CID 174679764) has the molecular formula C34H38ClNO5 and a molecular weight of 576.13 g/mol. Its IUPAC name is (3R,4R,5R,6R)-3-amino-2,4,5-tribenzyl-6-(phenylmethoxymethyl)oxane-2,4,5-triol;hydrochloride.

Molecular Properties

Compound Name(3R,4R,5R,6R)-3-amino-2,4,5-tribenzyl-6-(phenylmethoxymethyl)oxane-2,4,5-triol;hydrochloride
PubChem CID174679764
Molecular FormulaC34H38ClNO5
Molecular Weight576.13 g/mol
Exact Mass575.24
IUPAC Name(3R,4R,5R,6R)-3-amino-2,4,5-tribenzyl-6-(phenylmethoxymethyl)oxane-2,4,5-triol;hydrochloride
SMILESCl.N[C@H]1C(O)(Cc2ccccc2)O[C@H](COCc2ccccc2)[C@](O)(Cc2ccccc2)[C@@]1(O)Cc1ccccc1
InChIInChI=1S/C34H37NO5.ClH/c35-31-33(37,22-27-15-7-2-8-16-27)32(36,21-26-13-5-1-6-14-26)30(25-39-24-29-19-11-4-12-20-29)40-34(31,38)23-28-17-9-3-10-18-28;/h1-20,30-31,36-38H,21-25,35H2;1H/t30-,31-,32-,33-,34?;/m1./s1
InChIKeyFWCWBUACRSBIQP-XTNXPORCSA-N
XLogP4.23
TPSA105.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.13
LogP ≤ 54.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (3R,4R,5R,6R)-3-amino-2,4,5-tribenzyl-6-(phenylmethoxymethyl)oxane-2,4,5-triol;hydrochloride with MolForge

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Related Compounds

(3R,4S,5R)-3,4-dibenzyl-5-(phenylmethoxymethyl)oxolane-2,3,4-triol
CID 141224072
(2S,3R,4R,5R)-3,4-dibenzyl-3,4-dihydroxy-5-(phenylmethoxymethyl)oxolane-2-carboxylic acid
CID 141184426
(3R,4S,5R,6R)-3,4-dibenzyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxane-2,3,4-triol
CID 18664957
2-benzyl-3-ethyloxiran-2-ol
CID 141291266
(2S,3S,4R,5R)-2-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3,4-dibenzyl-5-(phenylmethoxymethyl)oxolane-3,4-diol
CID 140674095
(1S,2R,3S,4R)-2,3-bis(phenylmethoxymethyl)-5-oxabicyclo[2.1.0]pentane
CID 11056009
(3R,4S,5R,6R)-2-ethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 14445991
(2S,3R,4R,6R)-5,5-difluoro-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 86619972
(3R,4R,5S,6R)-3-amino-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol
CID 90939557
trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine
CID 57481680
2-[(3R,4S,5S,6R)-2-hydroxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetic acid
CID 54345731
5,5-difluoro-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 153362035

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R,6R)-3-amino-2,4,5-tribenzyl-6-(phenylmethoxymethyl)oxane-2,4,5-triol;hydrochloride?
The IUPAC name of (3R,4R,5R,6R)-3-amino-2,4,5-tribenzyl-6-(phenylmethoxymethyl)oxane-2,4,5-triol;hydrochloride (CID 174679764) is (3R,4R,5R,6R)-3-amino-2,4,5-tribenzyl-6-(phenylmethoxymethyl)oxane-2,4,5-triol;hydrochloride.
What is the SMILES notation for (3R,4R,5R,6R)-3-amino-2,4,5-tribenzyl-6-(phenylmethoxymethyl)oxane-2,4,5-triol;hydrochloride?
The canonical SMILES for (3R,4R,5R,6R)-3-amino-2,4,5-tribenzyl-6-(phenylmethoxymethyl)oxane-2,4,5-triol;hydrochloride is Cl.N[C@H]1C(O)(Cc2ccccc2)O[C@H](COCc2ccccc2)[C@](O)(Cc2ccccc2)[C@@]1(O)Cc1ccccc1.
What is the InChIKey of (3R,4R,5R,6R)-3-amino-2,4,5-tribenzyl-6-(phenylmethoxymethyl)oxane-2,4,5-triol;hydrochloride?
The InChIKey is FWCWBUACRSBIQP-XTNXPORCSA-N. The full InChI is InChI=1S/C34H37NO5.ClH/c35-31-33(37,22-27-15-7-2-8-16-27)32(36,21-26-13-5-1-6-14-26)30(25-39-24-29-19-11-4-12-20-29)40-34(31,38)23-28-17-9-3-10-18-28;/h1-20,30-31,36-38H,21-25,35H2;1H/t30-,31-,32-,33-,34?;/m1./s1.
What are the key properties of (3R,4R,5R,6R)-3-amino-2,4,5-tribenzyl-6-(phenylmethoxymethyl)oxane-2,4,5-triol;hydrochloride?
(3R,4R,5R,6R)-3-amino-2,4,5-tribenzyl-6-(phenylmethoxymethyl)oxane-2,4,5-triol;hydrochloride has a molecular weight of 576.13 g/mol, XLogP of 4.23, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R,6R)-3-amino-2,4,5-tribenzyl-6-(phenylmethoxymethyl)oxane-2,4,5-triol;hydrochloride is sourced from PubChem (CID 174679764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).